Extended Data Table 1. Data collection and refinement statistics.
ASK1-D3 (form 1) |
ASK1-D3 (form 2) | ASK1-D3 (form 3) | D3-CTH-D14-GR24 | ||
---|---|---|---|---|---|
Native | K2Pt(NO2)4 | ||||
Data collection | |||||
Space group | C2 | C2 | P21 | P21 | P65 |
Cell dimensions | |||||
a, b, c (Å) | 233.7 79.7 153.4 | 237.4 79.8 151.7 | 79.4 130.4 94.3 | 77.9 113.3 92.8 | 183.8 183.8 153.6 |
α, β, γ (°) | 90 128.6 90 | 90 129.7 90 | 90 99.4 90 | 90 99 90 | 90 90 120 |
Resolution (Å) | 50.00–2.50 (2.54–2.50) | 50.00–2.50 (2.54–2.50) | 50.00–2.40 (2.49–2.40) | 50.00–3.00 (3.05–3.00) | 50.00–2.40 (2.44–2.40) |
Rsym | 0.126 (0.403) | 0.128 (0.539) | 0.179 (0.939) | 0.129(0.658) | 0.172(0.699) |
I/ σI | 35.5 (2.0) | 63.7 (2.0) | 26.4 (3.0) | 39(1.3) | 60.1 (2.5) |
Completeness (%) | 98.8 (88.4) | 95.9 (71.6) | 98.9 (97.8) | 96.6 (97.8) | 100 (99.8) |
Redundancy | 4.7 (3.6) | 8.1 (6.3) | 7.2 (5.6) | 3.7 (3.5) | 11.7(8.9) |
Refinement | |||||
Resolution (Å) | 2.50 | 2.40 | 3.00 | 2.40 | |
No. reflections | 75577 | 73464 | 31050 | 115753 | |
Rwork/Rfree (%) | 20.0/22.5 | 19.2/21.8 | 22.0/25.6 | 24.8/30.0 | |
No. atoms | 11832 | 12231 | 10771 | 17166 | |
Protein | 11366 | 11737 | 10771 | 16607 | |
Ligand/ion | 0 | 0 | 0 | 8 | |
Water | 466 | 494 | 0 | 551 | |
B-factors | |||||
Protein | 39.3 | 35.5 | 65.6 | 32.4 | |
Ligand/ion | N/A | N/A | N/A | 38.6 | |
Water | 34.9 | 31.9 | N/A | 24.1 | |
R.m.s. deviations | |||||
Bond lengths (Á) | 0.010 | 0.010 | 0.008 | 0.011 | |
Bond angles (°) | 1.48 | 1.40 | 1.31 | 1.27 | |
Ramachandran favored (%) | 97.9 | 98.5 | 96.5 | 96.0 | |
Ramachandran allowed (%) | 2.1 | 1.5 | 3.5 | 4.0 | |
Ramachandran outliers (%) | 0 | 0 | 0 | 0 | |
PDB ID | 6BRO | 6BRP | 6BRQ | 6BRT |